2-[(4-cyanophenyl)carbonyl-(6-ethyl-1,3-benzothiazol-2-yl)amino]ethyl-diethyl-azanium

Systemtic Name: 2-[(4-cyanophenyl)carbonyl-(6-ethyl-1,3-benzothiazol-2-yl)amino]ethyl-diethyl-azanium Openeye Name: 2-[(4-cyanobenzoyl)-(6-ethyl-1,3-benzothiazol-2-yl)amino]ethyl-diethyl-ammonium CAS Name: 2-[[(4-cyanophenyl)-oxomethyl]-(6-ethyl-1,3-benzothiazol-2-yl)amino]ethyl-diethylammonium IUPAC Name: 2-[(4-cyanobenzoyl)-(6-ethyl-1,3-benzothiazol-2-yl)amino]ethyl-diethylazanium Traditional Name: 2-[(4-cyanobenzoyl)-(6-ethyl-1,3-benzothiazol-2-yl)amino]ethyl-diethyl-ammonium Formula: C23H27N4OS+ MolecularWeight: 407.55168

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)N=C(S2)N(CC[NH+](CC)CC)C(=O)C3=CC=C(C=C3)C#N

Isomeric SMILES

CCC1=CC2=C(C=C1)N=C(S2)N(CC[NH+](CC)CC)C(=O)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C23H26N4OS/c1-4-17-9-12-20-21(15-17)29-23(25-20)27(14-13-26(5-2)6-3)22(28)19-10-7-18(16-24)8-11-19/h7-12,15H,4-6,13-14H2,1-3H3/p+1